Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 17/20 | 1.00 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL31060448 | 1.00 | PARP1 (1.00) | PARP1PARP2ALDH1A1HRH3HRH4 | |
| SCHEMBL16416618 | 0.99 | PARP1 (1.00) | PARP1PARP2ALDH1A1HRH3HRH4 | |
| SCHEMBL16416587 | 0.89 | PARP1 (1.00) | PARP1 | |
| SCHEMBL16416563 | 0.89 | PARP1 (1.00) | PARP1HRH3 | |
| SCHEMBL16416385 | 0.80 | PARP1 (1.00) | PARP1ALDH1A1 | |
| SCHEMBL16416586 | 0.71 | PARP1 (1.00) | PARP1ALDH1A1 | |
| SCHEMBL6620406 | 0.68 | CYP2D6 (0.61) | PARP1ALDH1A1HRH3HRH4 | |
| SCHEMBL16417008 | 0.68 | HRH3 (0.53) | PARP1ALDH1A1HRH3HRH4 | |
| SCHEMBL2912150 | 0.66 | HRH3 (0.64) | ALDH1A1HRH3HRH4 | |
| SCHEMBL6672306 | 0.66 | ALDH1A1 (0.55) | PARP1PARP2ALDH1A1HRH3HRH4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015011008-A1 | 7-AZAINDOLE DERIVATIVES AS PARP INHIBITORS | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2015-01-29 | — | — | WO | claimed |
| WO-2015011008-A1 | 7-AZAINDOLE DERIVATIVES AS PARP INHIBITORS | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2015-01-29 | — | — | WO | disclosed |